%mem=48GB
%nprocshared=24
#p opt freq=noraman b3lyp/cc-pVTZ empiricaldispersion=gd3bj nosymm SCRF=(PCM,Read)

Second ts NitroFurantoin second trial

0 1
O         -0.24100       -1.00700        0.00200
C         -1.59000       -0.89900        0.00000
C         -1.98200        0.41300       -0.00200
H         -2.99900        0.78000       -0.00400
C          0.25700        0.27400        0.00200
C         -0.78300        1.17600       -0.00100
H         -0.68600        2.25300       -0.00200
C          1.69000        0.47600        0.00400
H          1.97800        1.54600        0.00400
O          2.52900       -0.41700        0.00600
C         -2.37100       -2.22700       -0.00000
C         -2.72200       -2.82900       -1.20800
C         -2.72600       -2.82700        1.20800
C         -3.42900       -4.03200       -1.20900
H         -2.44300       -2.35600       -2.16000
C         -3.43300       -4.03000        1.20800
H         -2.44900       -2.35300        2.16000
C         -3.78400       -4.63200       -0.00000
H         -3.70700       -4.50600       -2.16100
H         -3.71200       -4.50400        2.16000
N         -4.53000       -5.89900       -0.00100
O         -3.91000       -6.92600        0.00000
O         -5.72800       -5.85600       -0.00300

Eps=2.453





